CCOC(=O)CN1CCN(CC(=O)OCC)CCN(C(CCCN2C(=O)c3ccccc3C2=O)C(=O)OCc2ccccc2)CCN(CC(=O)OCC)CC1

Name: compound

IUPAC: benzyl 5-(1,3-dioxoisoindol-2-yl)-2-[4,7,10-tris(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoate

SMILES: CCOC(=O)CN1CCN(CC(=O)OCC)CCN(C(CCCN2C(=O)c3ccccc3C2=O)C(=O)OCc2ccccc2)CCN(CC(=O)OCC)CC1

Canonical SMILES: CCOC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)OCC)C(CCCN2C(=O)C3=CC=CC=C3C2=O)C(=O)OCC4=CC=CC=C4)CC(=O)OCC

Summenformel: C40H55N5O10

Molare Masse: 765.90

InChIKey: GFBSHXWSAQKFLM-UHFFFAOYSA-N

InChI:

InChI=1S/C40H55N5O10/c1-4-52-35(46)27-41-19-21-42(28-36(47)53-5-2)23-25-44(26-24-43(22-20-41)29-37(48)54-6-3)34(40(51)55-30-31-13-8-7-9-14-31)17-12-18-45-38(49)32-15-10-11-16-33(32)39(45)50/h7-11,13-16,34H,4-6,12,17-30H2,1-3H3

PubChem CID: 57816357 →

Synonyme

SCHEMBL1673004GFBSHXWSAQKFLM-UHFFFAOYSA-N5-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)-2-(4,7,10-trisethoxycarbonylmethyl-1,4,7,10-tetraazacyclododec-1-yl)pentanoic acid benzyl ester

An 1 Reaktionen beteiligt→